Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9682547 | 0.84 | CYP2D6 (0.52) | KMT2AALDH1A1LMNACYP2D6OPRM1 | |
| SCHEMBL9682596 | 0.79 | CYP2D6 (0.49) | KMT2AALDH1A1MEN1LMNACYP2D6 | |
| SCHEMBL9682607 | 0.76 | CYP2D6 (0.57) | KMT2AALDH1A1LMNACYP2D6OPRM1 | |
| SCHEMBL18517430 | 0.75 | CYP2D6 (0.48) | KMT2AALDH1A1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL9683068 | 0.75 | KMT2A (0.46) | KMT2AALDH1A1LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL9682087 | 0.73 | OPRL1 (0.44) | ALDH1A1CYP2D6MAPTOPRL1MC4R | |
| SCHEMBL48088 | 0.72 | CYP2D6 (0.61) | KMT2AALDH1A1CYP2D6OPRM1OPRK1 | |
| SCHEMBL2916607 | 0.72 | CYP2D6 (0.61) | KMT2AALDH1A1CYP2D6OPRM1OPRK1 | |
| SCHEMBL9596277 | 0.72 | CYP2D6 (0.61) | KMT2AALDH1A1CYP2D6OPRM1OPRK1 | |
| SCHEMBL6097455 | 0.71 | CYP2D6 (0.65) | KMT2AALDH1A1CYP2D6OPRM1OPRK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |